[6-methylsulfanyl-3,4-bis(oxidanyl)-5-(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [6-methylsulfanyl-3,4-bis(oxidanyl)-5-(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: (5-benzoyloxy-3,4-dihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)methyl benzoate CAS Name: benzoic acid [5-benzoyloxy-3,4-dihydroxy-6-(methylthio)-2-oxanyl]methyl ester IUPAC Name: (5-benzoyloxy-3,4-dihydroxy-6-methylsulfanyloxan-2-yl)methyl benzoate Traditional Name: benzoic acid [5-benzoyloxy-3,4-dihydroxy-6-(methylthio)tetrahydropyran-2-yl]methyl ester Formula: C21H22O7S MolecularWeight: 418.46018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22O7S/c1-29-21-18(28-20(25)14-10-6-3-7-11-14)17(23)16(22)15(27-21)12-26-19(24)13-8-4-2-5-9-13/h2-11,15-18,21-23H,12H2,1H3